N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentyl]-2-(methylamino)-2-phenylacetamide;hydrochloride

C25H26Cl2N4O3 — CID 22714065

About N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentyl]-2-(methylamino)-2-phenylacetamide;hydrochloride

N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentyl]-2-(methylamino)-2-phenylacetamide;hydrochloride (PubChem CID 22714065) has the molecular formula C25H26Cl2N4O3 and a molecular weight of 501.41 g/mol. Its IUPAC name is N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentyl]-2-(methylamino)-2-phenylacetamide;hydrochloride.

Molecular Properties

• Compound Name: N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentyl]-2-(methylamino)-2-phenylacetamide;hydrochloride
• PubChem CID: 22714065
• Molecular Formula: C25H26Cl2N4O3
• Molecular Weight: 501.41 g/mol
• Exact Mass: 500.14
• IUPAC Name: N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentyl]-2-(methylamino)-2-phenylacetamide;hydrochloride
• SMILES: CNC(C(=O)NC1CCC(n2c(=O)c3c(C)onc3c3c(Cl)cccc32)C1)c1ccccc1.Cl
• InChI: InChI=1S/C25H25ClN4O3.ClH/c1-14-20-23(29-33-14)21-18(26)9-6-10-19(21)30(25(20)32)17-12-11-16(13-17)28-24(31)22(27-2)15-7-4-3-5-8-15;/h3-10,16-17,22,27H,11-13H2,1-2H3,(H,28,31);1H
• InChIKey: OQAOFQXZSWHIHT-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 89.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.41
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentyl]-2-(methylamino)-2-phenylacetamide;hydrochloride?

The IUPAC name of N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentyl]-2-(methylamino)-2-phenylacetamide;hydrochloride (CID 22714065) is N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentyl]-2-(methylamino)-2-phenylacetamide;hydrochloride.

What is the SMILES notation for N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentyl]-2-(methylamino)-2-phenylacetamide;hydrochloride?

The canonical SMILES for N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentyl]-2-(methylamino)-2-phenylacetamide;hydrochloride is CNC(C(=O)NC1CCC(n2c(=O)c3c(C)onc3c3c(Cl)cccc32)C1)c1ccccc1.Cl.

What is the InChIKey of N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentyl]-2-(methylamino)-2-phenylacetamide;hydrochloride?

The InChIKey is OQAOFQXZSWHIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O3.ClH/c1-14-20-23(29-33-14)21-18(26)9-6-10-19(21)30(25(20)32)17-12-11-16(13-17)28-24(31)22(27-2)15-7-4-3-5-8-15;/h3-10,16-17,22,27H,11-13H2,1-2H3,(H,28,31);1H.

What are the key properties of N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentyl]-2-(methylamino)-2-phenylacetamide;hydrochloride?

N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentyl]-2-(methylamino)-2-phenylacetamide;hydrochloride has a molecular weight of 501.41 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentyl]-2-(methylamino)-2-phenylacetamide;hydrochloride is sourced from PubChem (CID 22714065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).